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Searched refs:sigma (Results 1 – 25 of 5842) sorted by relevance

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/dports/emulators/pcem/pcem_emulator-pcem-faf5d6423060/src/
H A Dvid_sigma.c206 old = sigma->crtc[sigma->crtcreg]; in sigma_out()
207 sigma->crtc[sigma->crtcreg] = val & crtcmask[sigma->crtcreg]; in sigma_out()
469 sigma->ma += sigma->crtc[1]; in sigma_text80()
530 sigma->ma += sigma->crtc[1]; in sigma_text40()
653 sigma->sc = ((sigma->sc << 1) + sigma->oddeven) & 7; in sigma_poll()
722 if (sigma->vc == sigma->crtc[7] && !sigma->sc) in sigma_poll()
738 …if (sigma->sc == (sigma->crtc[11] & 31) || ((sigma->crtc[8] & 3) == 3 && sigma->sc == ((sigma->crt… in sigma_poll()
744 sigma->maback = sigma->ma; in sigma_poll()
754 … sigma->ma = sigma->maback = (sigma->crtc[13] | (sigma->crtc[12] << 8)) & 0x3fff; in sigma_poll()
774 … if (!sigma->vadj) sigma->ma = sigma->maback = (sigma->crtc[13] | (sigma->crtc[12] << 8)) & 0x3fff; in sigma_poll()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/rdmft/recycling/wfn1/
H A Dwfn1_optimize.dox63 (f'_C(p^\sigma p^\sigma)[p^\sigma+\delta p^\sigma][p^\sigma+\delta p^\sigma]|
64 f'_C(q^{\sigma'}q^{\sigma'})[q^{\sigma'}+\delta q^{\sigma'}][q^{\sigma'}+\delta q^{\sigma'}])
67 (f'_C(p^\sigma p^\sigma)[p^\sigma][p^\sigma]|
79 &+& (f'_C(p^\sigma p^\sigma)[p^\sigma][p^\sigma]|
82 (f'_C(p^\sigma p^\sigma)[p^\sigma][p^\sigma]|
85 &+& (f'_C(p^\sigma p^\sigma)[p^\sigma][p^\sigma]|
124 P_{24}(f'_X(p^\sigma p^\sigma)[p^\sigma+\delta p^\sigma][p^\sigma+\delta p^\sigma]|
182 …(f'_C(p^\sigma p^\sigma)[\delta p^\sigma][p^\sigma]|f'_C(q^{\sigma'} q^{\sigma'})[q^{\sigma'}][q^{…
185 …P_{24}(f'_X(p^\sigma p^\sigma)[\delta p^\sigma][p^\sigma]|f'_X(q^{\sigma} q^{\sigma})[q^{\sigma}][…
197 (f'_C(p^\sigma p^\sigma)|f'_C(q^{\sigma'} q^{\sigma'})[q^{\sigma'}][q^{\sigma'}]) \\\\
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/rdmft/recycling/wfn1/
H A Dwfn1_optimize.dox63 (f'_C(p^\sigma p^\sigma)[p^\sigma+\delta p^\sigma][p^\sigma+\delta p^\sigma]|
64 f'_C(q^{\sigma'}q^{\sigma'})[q^{\sigma'}+\delta q^{\sigma'}][q^{\sigma'}+\delta q^{\sigma'}])
67 (f'_C(p^\sigma p^\sigma)[p^\sigma][p^\sigma]|
79 &+& (f'_C(p^\sigma p^\sigma)[p^\sigma][p^\sigma]|
82 (f'_C(p^\sigma p^\sigma)[p^\sigma][p^\sigma]|
85 &+& (f'_C(p^\sigma p^\sigma)[p^\sigma][p^\sigma]|
124 P_{24}(f'_X(p^\sigma p^\sigma)[p^\sigma+\delta p^\sigma][p^\sigma+\delta p^\sigma]|
182 …(f'_C(p^\sigma p^\sigma)[\delta p^\sigma][p^\sigma]|f'_C(q^{\sigma'} q^{\sigma'})[q^{\sigma'}][q^{…
185 …P_{24}(f'_X(p^\sigma p^\sigma)[\delta p^\sigma][p^\sigma]|f'_X(q^{\sigma} q^{\sigma})[q^{\sigma}][…
197 (f'_C(p^\sigma p^\sigma)|f'_C(q^{\sigma'} q^{\sigma'})[q^{\sigma'}][q^{\sigma'}]) \\\\
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/dports/math/xlife++/xlifepp-sources-v2.0.1-2018-05-09/src/geometry/subdivision/subUtil/
H A DVolMeshHexCube.cpp120 listV_.push_back(Vertex(V[1]+mVN,TG_.sigma(5)|TG_.sigma(1)|TG_.sigma(6)|sDOM,Pt[1])); in initMesh()
121 listV_.push_back(Vertex(V[2]+mVN,TG_.sigma(1)|TG_.sigma(2)|TG_.sigma(6)|sDOM,Pt[2])); in initMesh()
122 listV_.push_back(Vertex(V[3]+mVN,TG_.sigma(2)|TG_.sigma(4)|TG_.sigma(6)|sDOM,Pt[3])); in initMesh()
123 listV_.push_back(Vertex(V[4]+mVN,TG_.sigma(4)|TG_.sigma(5)|TG_.sigma(6)|sDOM,Pt[4])); in initMesh()
124 listV_.push_back(Vertex(V[5]+mVN,TG_.sigma(5)|TG_.sigma(1)|TG_.sigma(3)|sDOM,Pt[5])); in initMesh()
299 sITF = TG_.sigma(iPhI)|TG_.sigma(iPhI+1)|TG_.sigma(iPhI+2); in initMesh()
363 sITF = TG_.sigma(iPhI)|TG_.sigma(iPhI+1)|TG_.sigma(iPhI+2); in initMesh()
433 sITF = TG_.sigma(iPhI)|TG_.sigma(iPhI+2)|TG_.sigma(iPhI+4); in initMesh()
435 …sITF = TG_.sigma(iPhI)|TG_.sigma(iPhI+1)|TG_.sigma(iPhI+2)|TG_.sigma(iPhI+3)|TG_.sigma(iPhI+4)|TG_… in initMesh()
444 sITF = TG_.sigma(iPhI+1)|TG_.sigma(iPhI+2)|TG_.sigma(iPhI+3)|TG_.sigma(iPhI+5); in initMesh()
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H A DVolMeshTetCube.cpp121 listV_.push_back(Vertex(V[1]+mVN,TG_.sigma(5)|TG_.sigma(1)|TG_.sigma(6)|sDOM,Pt[1])); in initMesh()
122 listV_.push_back(Vertex(V[2]+mVN,TG_.sigma(1)|TG_.sigma(2)|TG_.sigma(6)|sDOM,Pt[2])); in initMesh()
123 listV_.push_back(Vertex(V[3]+mVN,TG_.sigma(2)|TG_.sigma(4)|TG_.sigma(6)|sDOM,Pt[3])); in initMesh()
124 listV_.push_back(Vertex(V[4]+mVN,TG_.sigma(4)|TG_.sigma(5)|TG_.sigma(6)|sDOM,Pt[4])); in initMesh()
125 listV_.push_back(Vertex(V[5]+mVN,TG_.sigma(5)|TG_.sigma(1)|TG_.sigma(3)|sDOM,Pt[5])); in initMesh()
300 sITF = TG_.sigma(iPhI)|TG_.sigma(iPhI+1)|TG_.sigma(iPhI+2); in initMesh()
364 sITF = TG_.sigma(iPhI)|TG_.sigma(iPhI+1)|TG_.sigma(iPhI+2); in initMesh()
434 sITF = TG_.sigma(iPhI)|TG_.sigma(iPhI+2)|TG_.sigma(iPhI+4); in initMesh()
436 …sITF = TG_.sigma(iPhI)|TG_.sigma(iPhI+1)|TG_.sigma(iPhI+2)|TG_.sigma(iPhI+3)|TG_.sigma(iPhI+4)|TG_… in initMesh()
445 sITF = TG_.sigma(iPhI+1)|TG_.sigma(iPhI+2)|TG_.sigma(iPhI+3)|TG_.sigma(iPhI+5); in initMesh()
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/dports/science/libcint/libcint-5.1.0/scripts/
H A Dauto_intor.cl66 '("int1e_spsigmasp" (sigma dot p \| sigma sigma dot p))
70 '("int1e_spsp" (sigma dot p \| sigma dot p))
72 '("int1e_spnucsp" (sigma dot p \| nuc \| sigma dot p))
74 '("int1e_srnucsr" (sigma dot r \| nuc \| sigma dot r))
82 '("int1e_giao_sa10sp" (.5 r cross sigma \| sigma dot p))
91 '("int2e_spsp1" (sigma dot p \, sigma dot p \| \, ))
93 '("int2e_srsr1" (sigma dot r \, sigma dot r \| \,))
115 '("int2e_spv1spv2" (sigma dot p \, \| sigma dot p \,))
117 '("int2e_spv1vsp2" (sigma dot p \, \| \, sigma dot p))
119 '("int2e_spv1spsp2" (sigma dot p \, \| sigma dot p \, sigma dot p))
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/dports/math/gmp-ecm/ecm-7.0.4/
H A Dtest.ecm135 echo "101#-1" | $ECM -sigma 0:17 4e5; checkcode $? 14
137 echo '101!-1' | $ECM -sigma 0:17 1e5; checkcode $? 2
139 echo '101!3-1' | $ECM -sigma 0:17 1e5; checkcode $? 2
463 echo "2^349-1" | $ECM -sigma 2:9 587 29383
471 echo 911962091 | $ECM -sigma 2:14 50000
474 echo 911962091 | $ECM -sigma 2:3 1297 1831
480 echo 4294967279 | $ECM -sigma 2:268435456 2
488 echo "2^349-1" | $ECM -sigma 3:13 587 29383
492 echo "2^347-1" | $ECM -sigma 3:1097 3301 229939
507 echo "17+Phi(1,2)" | $ECM -sigma 0:17 1e3
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/regtest-excl-G/
H A Dethanol_both_rcut10.0_e1-1_v1-1___G.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
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H A Dethanol_both_rcut10.0_e1-1_v1-2_R_G.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
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H A Dethanol_both_rcut10.0_e1-1_v1-4_R_G.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
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H A Dethanol_both_rcut10.0_e1-2_v1-1_RSG.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
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H A Dethanol_both_rcut10.0_e1-2_v1-1_R_G.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
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H A Dethanol_both_rcut10.0_e1-2_v1-3_RSG.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
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H A Dethanol_both_rcut10.0_e1-2_v1-3_R_G.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
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H A Dethanol_both_rcut10.0_e1-2_v1-3__SG.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
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H A Dethanol_both_rcut10.0_e1-2_v1-4___G.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
[all …]
H A Dethanol_both_rcut10.0_e1-3_v1-1_RSG.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
[all …]
H A Dethanol_both_rcut10.0_e1-3_v1-1_R_G.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
[all …]
H A Dethanol_both_rcut10.0_e1-3_v1-2_R_G.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
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H A Dethanol_both_rcut10.0_e1-3_v1-2__SG.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
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H A Dethanol_both_rcut10.0_e1-3_v1-2___G.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
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H A Dethanol_both_rcut10.0_e1-4_v1-1_RSG.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
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H A Dethanol_both_rcut10.0_e1-4_v1-1_R_G.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
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H A Dethanol_both_rcut10.0_e1-4_v1-1__SG.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
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H A Dethanol_both_rcut10.0_e1-4_v1-1___G.inp82 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
89 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
96 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
103 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
110 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
117 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
126 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
133 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
140 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
147 FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
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